- InChI
- InChI=1S/C12H11BrCl4O2/c13-5-3-1-2-4-9(18)19-12-8(15)6-7(14)10(16)11(12)17/h6H,1-5H2
- InChI Key
- PESHYZZXVVLVSU-UHFFFAOYSA-N
- Formula
- C12H11BrCl4O2
- SMILES
-
O=C(CCCCCBr)Oc1c(Cl)cc(Cl)c(Cl
)c1Cl - Molecular Weight1
- 408.93
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -143.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.36 | kJ/mol | Joback Calculated Property |
| log10WS | -6.63 | Crippen Calculated Property | |
| logPoct/wat | 6.161 | Crippen Calculated Property | |
| McVol | 230.080 | ml/mol | McGowan Calculated Property |
| Pc | 2200.01 | kPa | Joback Calculated Property |
| Inp | 2566.00 | NIST | |
| Tboil | 812.73 | K | Joback Calculated Property |
| Tc | 1045.28 | K | Joback Calculated Property |
| Tfus | 553.14 | K | Joback Calculated Property |
| Vc | 0.881 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [518.85; 564.27] | J/mol×K | [812.73; 1045.28] | 
|
| Cp,gas | 518.85 | J/mol×K | 812.73 | Joback Calculated Property |
| Cp,gas | 528.24 | J/mol×K | 851.49 | Joback Calculated Property |
| Cp,gas | 536.87 | J/mol×K | 890.25 | Joback Calculated Property |
| Cp,gas | 544.77 | J/mol×K | 929.01 | Joback Calculated Property |
| Cp,gas | 551.96 | J/mol×K | 967.76 | Joback Calculated Property |
| Cp,gas | 558.45 | J/mol×K | 1006.52 | Joback Calculated Property |
| Cp,gas | 564.27 | J/mol×K | 1045.28 | Joback Calculated Property |
| η | [0.0001065; 0.0004798] | Pa×s | [553.14; 812.73] |
|
| η | 0.0004798 | Pa×s | 553.14 | Joback Calculated Property |
| η | 0.0003408 | Pa×s | 596.41 | Joback Calculated Property |
| η | 0.0002536 | Pa×s | 639.67 | Joback Calculated Property |
| η | 0.0001959 | Pa×s | 682.94 | Joback Calculated Property |
| η | 0.0001560 | Pa×s | 726.20 | Joback Calculated Property |
| η | 0.0001275 | Pa×s | 769.47 | Joback Calculated Property |
| η | 0.0001065 | Pa×s | 812.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, 2,3,4,6-tetrachlorophenyl ester.
Sources
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